N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C16H15N3O3S — CID 855559

IUPACN-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H15N3O3S/c1-3-19(15(20)13-5-4-10-22-13)16-18-17-14(23-16)11-6-8-12(21-2)9-7-11/h4-10H,3H2,1-2H3
InChIKeyNSNDRLGIYQTBNK-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 855559) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID855559
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H15N3O3S/c1-3-19(15(20)13-5-4-10-22-13)16-18-17-14(23-16)11-6-8-12(21-2)9-7-11/h4-10H,3H2,1-2H3
InChIKeyNSNDRLGIYQTBNK-UHFFFAOYSA-N
XLogP3.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide
CID 6497494
1-(furan-2-ylcarbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6497496
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
CID 808863
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 855559) is N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is CCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is NSNDRLGIYQTBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-19(15(20)13-5-4-10-22-13)16-18-17-14(23-16)11-6-8-12(21-2)9-7-11/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 855559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).